6-[1,2-bis(oxidanyl)propyl]-2-[2-(4-hydroxyphenyl)ethylamino]-1H-pteridin-4-one

Systemtic Name: 6-[1,2-bis(oxidanyl)propyl]-2-[2-(4-hydroxyphenyl)ethylamino]-1H-pteridin-4-one Openeye Name: 6-(1,2-dihydroxypropyl)-2-[2-(4-hydroxyphenyl)ethylamino]-1H-pteridin-4-one CAS Name: 6-(1,2-dihydroxypropyl)-2-[2-(4-hydroxyphenyl)ethylamino]-1H-pteridin-4-one IUPAC Name: 6-(1,2-dihydroxypropyl)-2-[2-(4-hydroxyphenyl)ethylamino]-1H-pteridin-4-one Traditional Name: 6-(1,2-dihydroxypropyl)-2-[2-(4-hydroxyphenyl)ethylamino]-1H-pteridin-4-one Formula: C17H19N5O4 MolecularWeight: 357.36386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CN=C2C(=N1)C(=O)N=C(N2)NCCC3=CC=C(C=C3)O)O)O

Isomeric SMILES

CC(C(C1=CN=C2C(=N1)C(=O)N=C(N2)NCCC3=CC=C(C=C3)O)O)O

InChI

InChI=1S/C17H19N5O4/c1-9(23)14(25)12-8-19-15-13(20-12)16(26)22-17(21-15)18-7-6-10-2-4-11(24)5-3-10/h2-5,8-9,14,23-25H,6-7H2,1H3,(H2,18,19,21,22,26)